7-fluoro-2-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline

• ChemBase ID: 464386
• Molecular Formular: C18H16FN3O
• Molecular Mass: 309.3375432
• Monoisotopic Mass: 309.12774037
• SMILES: c1(C(=O)N2Cc3c(CC2)ccc(c3)F)cn2c(nc(c2)C)cc1
• Canonical SMILES: Fc1ccc2c(c1)CN(CC2)C(=O)c1ccc2n(c1)cc(n2)C
• InChI: InChI=1S/C18H16FN3O/c1-12-9-22-10-14(3-5-17(22)20-12)18(23)21-7-6-13-2-4-16(19)8-15(13)11-21/h2-5,8-10H,6-7,11H2,1H3
• InChIKey: KURAAOBJWFNXFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline
• IUPAC Traditional name: 7-fluoro-2-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-3,4-dihydro-1H-isoquinoline
• Synonyms: 7-fluoro-2-[(2-methylimidazo[1,2-a]pyridin-6-yl)carbonyl]-1,2,3,4-tetrahydroisoquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4466444
• LogD (pH = 7.4): 2.075417
• Log P: 2.0959756
• Molar Refractivity: 87.5383 cm^3
• Polarizability: 31.935884 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.02
• LOG S: -3.18
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1